4-[[(E)-octadec-9-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(E)-octadec-9-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(E)-octadec-9-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[(E)-1-oxooctadec-9-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-octadec-9-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(E)-octadec-9-enoyl]amino]butyric acid Formula: C22H39NO4 MolecularWeight: 381.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-21(25)18-19-22(26)27/h9-10H,2-8,11-19H2,1H3,(H,26,27)(H,23,24,25)/b10-9+